NCI:176508 BBtclserve11129918102D 0 0.00000 0.00000129909 999-99-9 85 94 0 0 0 0 0 0 0 0 2 V2000 7.3068 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3068 0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4408 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 3.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4408 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 3.9012 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5000 4.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 3.9012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9049 3.4012 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 4.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 4.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0878 5.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 4.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4089 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 2.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 3.9012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9049 2.4012 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9049 5.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 5.2672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7788 6.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4082 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1165 2.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6369 3.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 4.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 1.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8762 -0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3098 4.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6369 2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7220 5.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5630 0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5685 0.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 6.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8755 -0.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3448 -1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3098 4.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0310 6.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9409 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 -0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 6.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3434 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8097 5.2672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3618 6.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3280 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 7.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 6.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3428 -1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8097 5.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 7.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8107 -2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 8.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8100 -2.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2793 -3.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8097 6.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3097 6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2780 -3.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 7.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8097 6.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2773 -3.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3097 7.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7452 -4.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8097 8.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7446 -4.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2138 -5.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8097 8.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2125 -5.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2118 -5.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6797 -6.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6791 -6.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1483 -6.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1470 -6.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1463 -7.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6143 -7.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6136 -7.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0829 -8.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 2 0 0 0 0 15 23 1 0 0 0 0 15 24 2 0 0 0 0 16 25 1 0 0 0 0 17 26 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 2 0 0 0 0 23 33 1 0 0 0 0 27 34 1 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 37 2 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 34 42 2 0 0 0 0 35 43 1 0 0 0 0 37 44 1 0 0 0 0 38 45 1 0 0 0 0 39 46 1 0 0 0 0 40 47 2 0 0 0 0 40 48 1 0 0 0 0 41 49 1 0 0 0 0 43 50 2 0 0 0 0 44 51 1 0 0 0 0 45 52 2 0 0 0 0 47 53 1 0 0 0 0 48 54 2 0 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